Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions

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Revision as of 09:30, 6 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464225641 of page Nicotinamide_adenine_dinucleotide for the Chem/Drugbox validation project (updated: 'ChEMBL', 'ChEBI', 'KEGG').← Previous edit		Revision as of 09:30, 6 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464225449 of page Sodium_chloride for the Chem/Drugbox validation project (updated: 'ChEMBL').Next edit →
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	{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}		{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}
	{{~~chembox~~		{{Chembox
	\| Verifiedfields = changed		\| Verifiedfields = changed
	\| verifiedrevid = ~~458942238~~		\| verifiedrevid = 458285369
	\| ImageFile = ~~NAD+ phys~~.~~svg~~		\| ImageFile = Halit-Kristalle.jpg
			\| ImageFile_Ref = {{chemboximage\|correct\|??}}
	\| ImageSize = 180px
			\| ImageSize = 160
	\| ImageName = Skeletal formula of the oxidized form
	\| ImageFile1 = ~~NAD-3D-balls~~.png		\| ImageFile1 =NaCl polyhedra.png
			\| IUPACName = Sodium chloride
	\| ImageSize1 = 200px
			\| OtherNames = Common salt<br />
	\| ImageName1 = Ball-and-stick model of the oxidized form
			Halite<br />
	\| IUPACName =
			Rock salt<br />
	\| OtherNames = Diphosphopyridine nucleotide (DPN{{+}}), Coenzyme I
			Saline<br />
			Sodium chloric<br />
			Table salt
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
			\| CASNo = 7647-14-5
	\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| UNII = 0U46U6E8UK
			\| PubChem = 5234
	\| InChI = 1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
			\| PubChem_Ref = {{Pubchemcite\|correct\|pubchem}}
	\| InChIKey = BAWFJGJZGIEFAR-NNYOXOHSBR
			\| UNII = 451W47IQ8X
			\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| EINECS = 231-598-3
			\| KEGG = D02056
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
			\| MeSHName = Sodium+chloride
			\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| ChEBI = 26710
			\| ChEMBL = <!-- blanked - oldvalue: 1200574 -->
			\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
			\| RTECS = VZ4725000
			\| ATCCode_prefix = A12
			\| ATCCode_suffix = CA01
			\| ATC_Supplemental = {{ATC\|B05\|CB01}}, {{ATC\|B05\|XA03}}
			\| Beilstein = 3534976
			\| Gmelin = 13673
			\| SMILES = .
			\| StdInChI = 1S/ClH.Na/h1H;/q;+1/p-1
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| InChI = 1/ClH.Na/h1H;/q;+1/p-1
	\| StdInChI = 1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
			\| StdInChIKey = FAPWRFPIFSIZLT-UHFFFAOYSA-M
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
			\| InChIKey = FAPWRFPIFSIZLT-REWHXWOFAE
	\| StdInChIKey = BAWFJGJZGIEFAR-NNYOXOHSSA-N
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| CASNo = 53-84-9
			\| ChemSpiderID = 5044
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
			}}
	\| CASOther = <br/>58-68-4 (NADH)<!--also verified-->
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = 5681
	\| PubChem = 925
	\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
	\| ChEMBL = <!-- blanked - oldvalue: 1628272 -->
	\| IUPHAR_ligand = 2451
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| DrugBank = DB00157
	\| SMILES = O=C(N)c1ccc(c1)2O((O)2O)COP()(=O)OP(=O)(O)OC5O(n4cnc3c(ncnc34)N)(O)5O
	\| MeSHName =
	\| KEGG_Ref = {{keggcite\|changed\|kegg}}
	\| KEGG = C00004
	\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
	\| ChEBI = 44215
	\| RTECS = UU3450000
	}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
			\| Formula = NaCl
	\| Formula = C{{sub\|21}}H{{sub\|27}}N{{sub\|7}}O{{sub\|14}}P{{sub\|2}}
	\| MolarMass = ~~663~~.43 g/~~mol~~		\| MolarMass = 58.44 g mol<sup>−1</sup>
			\| ExactMass = 57.958622382 g mol<sup>−1</sup>
	\| Appearance = White powder
			\| Appearance = Colorless crystals
	\| Density =
			\| Odor = Odorless
	\| MeltingPt = 160 °C
			\| Density = 2.165 g cm<sup>−3</sup>
	\| Solubility =
			\| MeltingPtC = 801
	}}
			\| BoilingPtC = 1413
	\| Section7 = {{Chembox Hazards
			\| Solubility = 359 g L<sup>−1</sup>
	\| MainHazards = Not hazardous
	\| ~~NFPA-H~~ = 1		\| Solvent1 = ammonia
			\| Solubility1 = 21.5 g L<sup>−1</sup>
	\| NFPA-F = 1
	\| ~~NFPA-R~~ = 0		\| Solvent2 = methanol
			\| Solubility2 = 14.9 g L<sup>−1</sup>
	\| FlashPt =
			\| pKa = 6.7–7.3
	\| Autoignition =
			\| pKb = 6.7–7.3
	}}
			\| RefractIndex = 1.5442 (at 589 nm)
			}}
			\| Section3 = {{Chembox Structure
			\| CrystalStruct = Face-centered cubic <br>(''see text''), ]
			\| SpaceGroup = Fm{{overline\|3}}m, No. 225
			\| LattConst_a = 564.02 pm
			\| Coordination = Octahedral (Na<sup>+</sup>)<br/>Octahedral (Cl<sup>–</sup>)
			}}
			\| Section4 = {{Chembox Thermochemistry
			\| DeltaHf = -411.12 kJ mol<sup>−1</sup>
			\| Entropy = 72.11 J K<sup>−1</sup> mol<sup>−1</sup>
			\| HeatCapacity = 36.79 J K<sup>−1</sup> mol<sup>−1</sup>
			}}
			\| Section5 = {{Chembox Hazards
			\| NFPA-H = 0
			\| NFPA-F = 0
			\| NFPA-R = 0
			\| LD50 = 3000–8000 mg/kg (oral in rats, mice, rabbits)<ref>{{Cite book\|author = Martel, B.; Cassidy, K.\|title = Chemical Risk Analysis: A Practical Handbook\|publisher = Butterworth–Heinemann\|year = 2004\|page = 369\|isbn = 1903996651}}</ref>
			}}
			\| Section6 = {{Chembox Related
			\| OtherAnions = ]<br/>]<br/>]
			\| OtherCations = ]<br/>]<br/>]<br/>]
			}}
	}}		}}

Revision as of 09:30, 6 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 464225449 of page Sodium_chloride with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names


IUPAC name Sodium chloride
Other names Common salt Halite Rock salt Saline Sodium chloric Table salt
Identifiers
CAS Number	7647-14-5
3D model (JSmol)	Interactive image
Beilstein Reference	3534976
ChEBI	CHEBI:26710
ChemSpider	5044
EC Number	231-598-3
Gmelin Reference	13673
KEGG	D02056
MeSH	Sodium+chloride
PubChem CID	5234
RTECS number	VZ4725000
UNII	451W47IQ8X
InChI InChI=1S/ClH.Na/h1H;/q;+1/p-1Key: FAPWRFPIFSIZLT-UHFFFAOYSA-M InChI=1/ClH.Na/h1H;/q;+1/p-1Key: FAPWRFPIFSIZLT-REWHXWOFAE
SMILES .
Properties
Chemical formula	NaCl
Molar mass	58.44 g mol
Appearance	Colorless crystals
Odor	Odorless
Density	2.165 g cm
Melting point	801 °C (1,474 °F; 1,074 K)
Boiling point	1,413 °C (2,575 °F; 1,686 K)
Solubility in water	359 g L
Solubility in ammonia	21.5 g L
Solubility in methanol	14.9 g L
Acidity (pK_a)	6.7–7.3
Basicity (pK_b)	6.7–7.3
Refractive index (n_D)	1.5442 (at 589 nm)
Structure
Crystal structure	Face-centered cubic (see text), cF8
Space group	Fm3m, No. 225
Lattice constant	a = 564.02 pm
Coordination geometry	Octahedral (Na) Octahedral (Cl)
Thermochemistry
Heat capacity (C)	36.79 J K mol
Std molar entropy (S₂₉₈)	72.11 J K mol
Std enthalpy of formation (Δ_fH₂₉₈)	-411.12 kJ mol
Hazards
NFPA 704 (fire diamond)	0 0 0
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	3000–8000 mg/kg (oral in rats, mice, rabbits)
Related compounds
Other anions	Sodium fluoride Sodium bromide Sodium iodide
Other cations	Lithium chloride Potassium chloride Rubidium chloride Caesium chloride
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound

Martel, B.; Cassidy, K. (2004). Chemical Risk Analysis: A Practical Handbook. Butterworth–Heinemann. p. 369. ISBN 1903996651.{{cite book}}: CS1 maint: multiple names: authors list (link)